HCID3055243

1-Piperazinyl(4-((7-(trifluoromethyl)-4-quinolinyl)amino)phenyl)methanone

piperazin-1-yl-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone

C21H19F3N4O400.4 g/molCAS 72141-43-6

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IDENTITY

结构与身份

标准SMILES: O=C(c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc23)cc1)N1CCNCC1
InChIKey: QLOJSDFOYLGRGV-UHFFFAOYSA-N
分子式: C21H19F3N4O
平均分子量: 400.4 g/mol
单同位素质量: 400.15109573

COMPUTED

结构计算性质

等待补全

XLogP: 3.4
极性表面积: 57.3 Å²
氢键供体: 2
氢键受体: 7
可旋转键: 3
重原子: 29
形式电荷: 0
复杂度: 559

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 15 条

72141-43-6RefChem:10567011-Piperazinyl(4-((7-(trifluoromethyl)-4-quinolinyl)amino)phenyl)methanone1-(4-((7-(Trifluoromethyl)-4-quinolinyl)amino)benzoyl)piperazineBRN 62448491-[4-[[7-(trifluoromethyl)-4-quinolinyl]amino]benzoyl]piperazinePiperazine, 1-(4-((7-(trifluoromethyl)-4-quinolinyl)amino)benzoyl)-CHEMBL29751SCHEMBL7372028SCHEMBL29809968DTXSID40992859GS34084-[4-[[7-(trifluoromethyl)-4-quinolinyl]amino]benzoyl]piperazinepiperazin-1-yl(4-((7-(trifluoromethyl)quinolin-4-yl)amino)phenyl)methanone(Piperazin-1-yl)(4-{[7-(trifluoromethyl)quinolin-4-yl]amino}phenyl)methanone

REACTIONS

参与反应

31 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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